Publikationen von Helmut Grubmüller
Alle Typen
Zeitschriftenartikel (234)
1.
Zeitschriftenartikel
19 (16), S. 5516 - 5524 (2023)
Uncertainties in Markov State Models of Small Proteins. Journal of Chemical Theory and Computation 2.
Zeitschriftenartikel
30, S. 1380 - 1392 (2023)
Structural conservation of antibiotic interaction with ribosomes. Nature Structural & Molecular Biology 3.
Zeitschriftenartikel
52, S. 361 - 390 (2023)
Simulation of Complex Biomolecular Systems: The Ribosome Challenge. Annual Review of Biophysics 4.
Zeitschriftenartikel
30, S. 512 - 520 (2023)
Discrimination between cyclic nucleotides in a cyclic nucleotide-gated ion channel. Nature Structural and Molecular Biology 5.
Zeitschriftenartikel
120 (8), e2215650120 (2023)
Molecular mechanism and energetics of coupling between substrate binding and product release in the F1-ATPase catalytic cycle. Proceedings of the National Academy of Sciences of the United States of America 6.
Zeitschriftenartikel
20, S. 2587 - 2599 (2022)
Nanomechanics combined with HDX reveals allosteric drug binding sites of CFTR NBD1. Comput. Struct. Biotec. J. 7.
Zeitschriftenartikel
8 (8), S. 1091 - 1101 (2022)
Intersubunit Coupling Enables Fast CO2-Fixation by Reductive Carboxylases. ACS Central Science 8.
Zeitschriftenartikel
105, 044404 (2022)
Estimating ruggedness of free-energy landscapes of small globular proteins from principal component analysis of molecular dynamics trajectories. Physical Review E 9.
Zeitschriftenartikel
62 (7), S. 1691 - 1711 (2022)
GROMACS in the cloud: A global supercomputer to speed up alchemical drug design. Journal of Chemical Infomation and Modeling 10.
Zeitschriftenartikel
13, 1709 (2022)
Effects of cryo-EM cooling on structural ensembles. Nature Communications 11.
Zeitschriftenartikel
119 (12), e2115516119 (2022)
Bending-torsional elasticity and energetics of the plus-end microtubule tip. Proceedings of the National Academy of Sciences of the United States of America 12.
Zeitschriftenartikel
50 (4), S. 2258 - 2269 (2022)
Folding of VemP into translation-arresting secondary structure is driven by the ribosome exit tunnel. Nucleic Acids Research 13.
Zeitschriftenartikel
104 (5), 054133 (2021)
Small-sample limit of the Bennett acceptance ratio method and the variationally derived intermediates. Physical Review E 14.
Zeitschriftenartikel
266, 108022 (2021)
Implementation of a Bayesian secondary structure estimation method for the SESCA circular dichroism analysis package. Computer Physics Communications 15.
Zeitschriftenartikel
17 (9), S. 5766 - 5776 (2021)
Time-lagged independent component analysis of random walks and protein dynamics. Journal of Chemical Theory and Computation 16.
Zeitschriftenartikel
120, S. 3470 - 3482 (2021)
Spatially resolved free-energy contributions of native fold and molten-globule-like Crambin. Biophysical Journal 17.
Zeitschriftenartikel
12, 4466 (2021)
Structural and mechanistic basis for translation inhibition by macrolide and ketolide antibiotics. Nature Communications 18.
Zeitschriftenartikel
264, 107931 (2021)
GROMACS implementation of free energy calculations with non-pairwise variationally derived intermediates. Computer Physics Communications 19.
Zeitschriftenartikel
12, 3606 (2021)
Tight docking of membranes before fusion represents a novel, metastable state with unique properties. Nature Communications 20.
Zeitschriftenartikel
143 (18), S. 6981 - 6989 (2021)
Spatiotemporal resolution of conformational changes in biomolecules by combining pulsed electron–electron double resonance spectroscopy with microsecond freeze-hyperquenching. Journal of the American Chemical Society